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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50294518'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50294518
PNG
(CHEMBL564224 | N-(2-Amino-6-furan-2-yl-5-nitro-pyr...)
Show SMILES COc1ccccc1CC(=O)Nc1nc(N)nc(-c2ccco2)c1[N+]([O-])=O
Show InChI InChI=1S/C17H15N5O5/c1-26-11-6-3-2-5-10(11)9-13(23)19-16-15(22(24)25)14(20-17(18)21-16)12-7-4-8-27-12/h2-8H,9H2,1H3,(H3,18,19,20,21,23)
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MMDB

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Similars
Article
PubMed
 10n/an/an/an/an/an/an/an/a



Vernalis (R+D) Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor

Bioorg Med Chem Lett 19: 2664-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.142
BindingDB Entry DOI: 10.7270/Q2RF5V1M
More data for this
Ligand-Target Pair